4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide

C20H15ClN2O4 — CID 1105902

IUPAC4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN2O4/c21-15-6-11-18(19(12-15)23(25)26)20(24)22-16-7-9-17(10-8-16)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,24)
InChIKeyMDZDNFHNCUIQHW-UHFFFAOYSA-N
MW382.80 g/mol
LogP5.08
Rot. Bonds6

About 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide

4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 1105902) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID1105902
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN2O4/c21-15-6-11-18(19(12-15)23(25)26)20(24)22-16-7-9-17(10-8-16)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,24)
InChIKeyMDZDNFHNCUIQHW-UHFFFAOYSA-N
XLogP5.08
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.80
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 60517936
2-nitro-4-[(4-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 139779417
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
2-nitro-4-phenylmethoxybenzoic acid
CID 23545885
2,4-dichloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916
2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 9099796
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide (CID 1105902) is 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is MDZDNFHNCUIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-15-6-11-18(19(12-15)23(25)26)20(24)22-16-7-9-17(10-8-16)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,24).
What are the key properties of 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide?
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 382.80 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 1105902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).